7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid

C10H11N5O2 — CID 115039333

IUPAC7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cc(N2CCCC2)n2ncnc2n1
InChIInChI=1S/C10H11N5O2/c16-9(17)7-5-8(14-3-1-2-4-14)15-10(13-7)11-6-12-15/h5-6H,1-4H2,(H,16,17)
InChIKeyOROUELACHKYUPE-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.42
Rot. Bonds2

About 7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid

7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 115039333) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID115039333
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cc(N2CCCC2)n2ncnc2n1
InChIInChI=1S/C10H11N5O2/c16-9(17)7-5-8(14-3-1-2-4-14)15-10(13-7)11-6-12-15/h5-6H,1-4H2,(H,16,17)
InChIKeyOROUELACHKYUPE-UHFFFAOYSA-N
XLogP0.42
TPSA83.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(azepan-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918340
7-(methylamino)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 115019267
7-piperidin-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 115055049
2-ethyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 115055053
1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide
CID 102918257
(3S)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
CID 94173217
[1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 78799878
1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-ol
CID 18191380
7-(4-cyclopropylidenepiperidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 121184229
2-piperidin-1-ylpyrimidine-4,6-dicarboxylic acid
CID 66490570
ethyl 1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylate
CID 46094525
7-(1,4-diazepan-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 43517134

Frequently Asked Questions

What is the IUPAC name of 7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 115039333) is 7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid is O=C(O)c1cc(N2CCCC2)n2ncnc2n1.
What is the InChIKey of 7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is OROUELACHKYUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c16-9(17)7-5-8(14-3-1-2-4-14)15-10(13-7)11-6-12-15/h5-6H,1-4H2,(H,16,17).
What are the key properties of 7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid?
7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 233.23 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 115039333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).